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Shape and Core-Excited Resonances in Thiophene

机译:噻吩的形状和核心激发共振

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摘要

We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is very good. Three shape resonances previously described, two of π* character and one σ*, as well as a number of resonances of core-excited or mixed character are identified and characterized in the calculations. The measured cross sections provide experimental confirmation for a number of the core-excited resonances. The link between these resonances and prior DEA experiments is discussed.
机译:我们综合研究了电子碰撞与噻吩的共振形成。 使用AB Initio R-Matrix方法进行了详细的计算。 已经测量了电子冲击激发的绝对差分横截面,最高可达18eV和两个散射角度,90和135°。 计算和测量的实验横截面之间的协议非常好。 先前描述的三个形状共振,两个π*字符和一个σ*,以及核心激发或混合特征的许多谐振在计算中。 测量的横截面为许多核心激发的共振提供了实验证据。 讨论了这些共振与先前DEA实验之间的联系。

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